N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide

C18H25N3O3 — CID 135525237

IUPACN-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1
InChIInChI=1S/C18H25N3O3/c1-10(22)19-16-20-15(24-21-16)11-8-12(17(2,3)4)14(23)13(9-11)18(5,6)7/h8-9,23H,1-7H3,(H,19,21,22)
InChIKeyCRMAPDDJEFRLMO-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.00
Rot. Bonds2

About N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide

N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 135525237) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID135525237
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1
InChIInChI=1S/C18H25N3O3/c1-10(22)19-16-20-15(24-21-16)11-8-12(17(2,3)4)14(23)13(9-11)18(5,6)7/h8-9,23H,1-7H3,(H,19,21,22)
InChIKeyCRMAPDDJEFRLMO-UHFFFAOYSA-N
XLogP4.00
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide (CID 135525237) is N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide is CC(=O)Nc1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1.
What is the InChIKey of N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is CRMAPDDJEFRLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-10(22)19-16-20-15(24-21-16)11-8-12(17(2,3)4)14(23)13(9-11)18(5,6)7/h8-9,23H,1-7H3,(H,19,21,22).
What are the key properties of N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 135525237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).